SCHEMBL821043

SCHEMBL821043

CCCCC(CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CERT1 Q9Y5P4 3/20 0.42
LMNA P02545 1/20 0.42
TRPA1 O75762 3/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
AOC3 Q16853 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
CNR2 P34972 1/20 0.40
NAAA Q02083 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22808422 1.00 POLB (0.46) POLBKDM4EALDH1A1CERT1LMNA
SCHEMBL28139983 0.94 CERT1 (0.44) POLBCERT1LMNAOPRM1OPRD1
SCHEMBL9000656 0.94 CERT1 (0.44) POLBCERT1LMNAOPRM1OPRD1
SCHEMBL500649 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1
SCHEMBL17027860 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1
SCHEMBL17027703 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1
SCHEMBL10940817 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1
SCHEMBL10905725 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1
SCHEMBL27674519 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1
SCHEMBL27299340 0.92 CERT1 (0.47) ALDH1A1CERT1LMNAOPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58172335-A None JP disclosed
CN-119470690-A Model for evaluating mildew degree of stored tobacco leaves based on characteristic atmosphere and application of model 湖南中烟工业有限责任公司 2025-02-18 CN disclosed
EP-3239261-B1 METHOD FOR PRODUCING AN ADHESIVE COMPOSITION AND A LAMINATE TOYO INK SC HOLDINGS CO LTD (JP) 2023-11-29 EP disclosed
CN-111655708-B 2, 3-biphosphinopyrazine derivative, process for producing the same, complex compound, catalyst, and process for producing organoboron compound 日本化学工业株式会社 2023-08-25 CN disclosed
CN-111032668-B Optically active 2,3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, and process for producing organoboron compound 日本化学工业株式会社 2022-10-14 CN disclosed
US-11185851-B2 Polymer-supported metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-08-10 US disclosed
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-18 US disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5652206-A BIODEGRADABLE QUATERNARY AMMONIUM SALT AND ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-07-29 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
JP-S58172335-A AROMATIC ALCOHOL HAVING PHENYL GROUP AT 2-POSITION AND ESTER THEREOF KUROKI TAKESHI 1983-10-11 JP disclosed
US-3968131-A POLYOXYETHYLENE GLYCOL BASF AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND BPGM, COASY, BRSK2 POLB 1570/4885KDM4E 3830/4885ALDH1A1 3485/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 POLB 3693/4885KDM4E 1835/4885ALDH1A1 1119/4885
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound BPGM, BRSK2, COASY POLB 1510/4885KDM4E 3840/4885ALDH1A1 3387/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 POLB 1542/4885KDM4E 3100/4885ALDH1A1 3863/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 POLB 2914/4885KDM4E 3101/4885ALDH1A1 16/4885
US-11185851-B2 Polymer-supported metal SOD1, PCNA, MAX POLB 238/4885KDM4E 3007/4885ALDH1A1 4117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.